Vitas-M small molecule compound
N-benzyl-2-({5-[(2,4-dimethylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Catalog ID
STK468730
SMILES C=CCn1c(SCC(=O)NCc2ccccc2)nnc1COc1ccc(cc1C)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C23H26N4O2S MW 422.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N4O2S/c1-4-12-27-21(15-29-20-11-10-17(2)13-18(20)3)25-26-23(27)30-16-22(28)24-14-19-8-6-5-7-9-19/h4-11,13H,1,12,14-16H2,2-3H3,(H,24,28)InChIKey
KZBYYGYFWHGZJU-UHFFFAOYSA-NSynonyms
2(5((24DIMETHYLPHENOXY)METHYL)4PROP2ENYL(124TRIAZOL3YLTHIO))NBENZYLACETAMIDE
CC1=CC(=C(C=C1)OCC2=NN=C(N2CC=C)SCC(=O)NCC3=CC=CC=C3)C
InChI=1SC23H26N4O2Sc14122721(152920111017(2)1318(20)3)252623(27)301622(28)2414198657919h41113H1121416H223H3(H2428)
MFCD06075309
Nbenzyl2((5((24dimethylphenoxy)methyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetamide
Nbenzyl2((5((24dimethylphenoxy)methyl)4prop2enyl124triazol3yl)sulfanyl)acetamide
ZINC000017093231
ZINC17093231
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